Glycoside
...
GD135530

Name:
11-{[5-({5-[(5-amino-4-{5-chloro-1H,8H-pyrrolo[2,3-b]indole-2-carbonyloxy}-6-methyloxan-2-yl)oxy]-4-hydroxy-4,6-dimethyloxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}-18-ethyl-17,25-dihydroxy-6,20,23-trimethyl-3,5-dioxo-2-azapentacyclo[18.3.1.1¹,⁴.0⁶,¹⁵.0⁷,¹²]pentacosa-4(25),13,21-triene-22-carboxylic acid

Formula:
C61H79O15N4Cl

Smiles:
CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CCC(OC5CC(C)(O)C(OC6CC(OC(=O)c7cc8c([nH]7)[nH]c7ccc(Cl)cc78)C(N)C(C)O6)C(C)O5)C(C)O4)CCCC32)CC1O

Aglycone:
CC1OC(O)CC(OC(=O)c2cc3c([nH]2)[nH]c2ccc(Cl)cc23)C1N.CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CCC(O)C(C)O4)CCCC32)CC1O

Sugarmoiety:
CC1OC(O)CC(C)(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 11
HBD: 9 FractionCSP3: 0.67
AlogP: 8.79 Num_rotatable_bonds: 10
MolWt: 1131.76 Num_heavy_atoms: 80
TPSA: 286.93 NumAromaticRings: 3

Unique Aglycone
AD46529
Formula: C36H51O9N

Smiles:
CCC1CC2(C)C=C(C(=O)O)C(C)C3(C2)N=C(O)C(=C3O)C(=O)C2(C)C(C=CC3C(OC4CCC(O)C(C)O4)CCCC32)CC1O
HBA: 10 RingCount: 6
HBD: 5 FractionCSP3: 0.75
AlogP: 5.19 Num_rotatable_bonds: 4
MolWt: 641.8 Num_heavy_atoms: 46
TPSA: 166.11 NumAromaticRings: 0
AD51141
Formula: C18H18O4N3Cl

Smiles:
CC1OC(O)CC(OC(=O)c2cc3c([nH]2)[nH]c2ccc(Cl)cc23)C1N
HBA: 7 RingCount: 4
HBD: 5 FractionCSP3: 0.35
AlogP: 2.28 Num_rotatable_bonds: 2
MolWt: 363.8 Num_heavy_atoms: 25
TPSA: 113.36 NumAromaticRings: 3

Sugarmoiety
SD00693

CC1OC(O)CC(C)(O)C1O