Glycoside
GD121448
Name:
hmp-y6Formula:
C86H118O36Smiles:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(OC2CC(O)C(O)C(C)O2)C2Cc3cc4c(OC)c(OC)c(-c5c(OC)c(OC)c6cc7c(c(O)c6c5O)C(=O)C5(O)C(C7)C(OC6CC(O)C(O)C(C)O6)C(O)C(OC6CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O6)C5(O)CCC)c(O)c4c(O)c3C(=O)C21OAglycone:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(-c5c(OC)c(OC)c6cc7c(c(O)c6c5O)C(=O)C5(O)C(C7)C(O)C(O)C(OC6CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O6)C5(O)CCC)c(O)c4c(O)c3C(=O)C21OSugarmoiety:
CC1OC(O)CC(O)C1O.CC1OC(O)CC(O)C1OOther Identifiers
Properties
| HBA: | 36 | RingCount: | 14 |
| HBD: | 16 | FractionCSP3: | 0.72 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 23 |
| MolWt: | 1727.85 | Num_heavy_atoms: | 122 |
| TPSA: | 539.64 | NumAromaticRings: | 4 |
Unique Aglycone
AD48890
Formula: C74H98O30
Smiles:
CCCC1(O)C(OC2CCC(OC3CCC(O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O)C2Cc3cc4c(OC)c(OC)c(-c5c(OC)c(OC)c6cc7c(c(O)c6c5O)C(=O)C5(O)C(C7)C(O)C(O)C(OC6CCC(OC7CCC(O)(C(C)=O)C(C)O7)C(C)O6)C5(O)CCC)c(O)c4c(O)c3C(=O)C21O| HBA: | 30 | RingCount: | 12 |
| HBD: | 14 | FractionCSP3: | 0.68 |
| AlogP: | 3.5 | Num_rotatable_bonds: | 19 |
| MolWt: | 1467.57 | Num_heavy_atoms: | 104 |
| TPSA: | 462.26 | NumAromaticRings: | 4 |
