Glycoside
...
GD153875

Name:
1-(1,2,3,4,4a,10a-hexahydrophenanthren-4a-yl)-7-hydroxy-4-(3-{4-hydroxy-3-[(1H-imidazol-5-yl)methyl]phenyl}prop-2-enoyl)-6-{[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3aH,4H,8bH-cyclopenta[b]indole-3a-carboxylic acid

Formula:
C45H45O12N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(OC3(O)OC(CO)C(O)C(O)C3O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)O

Aglycone:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)O

Sugarmoiety:
OCC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 15 RingCount: 9
HBD: 9 FractionCSP3: 0.36
AlogP: 3.22 Num_rotatable_bonds: 9
MolWt: 819.86 Num_heavy_atoms: 60
TPSA: 246.36 NumAromaticRings: 4

Unique Aglycone
AD61164
Formula: C39H35O6N3

Smiles:
O=C(C=Cc1ccc(O)c(Cc2cnc[nH]2)c1)N1c2cc(O)c(O)cc2C2C(C34CCCCC3C=Cc3ccccc34)C=CC21C(=O)O
HBA: 9 RingCount: 8
HBD: 5 FractionCSP3: 0.26
AlogP: 6.43 Num_rotatable_bonds: 6
MolWt: 641.72 Num_heavy_atoms: 48
TPSA: 146.98 NumAromaticRings: 4

Sugarmoiety
SD00999

OCC1OC(O)(O)C(O)C(O)C1O